UCSF

ZINC00646432

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

Other Names:

MFCD03847667

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 11.04 -17.44 2 9 0 100 435.484 6
Mid Mid (pH 6-8) 3.04 11.48 -58.57 3 9 1 104 436.492 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )